Lithium and sodium storage on graphitic carbon nitride

Hankel, Marlies, Ye, Delai, Wang, Lianzhou and Searles, Debra J. (2015) Lithium and sodium storage on graphitic carbon nitride. Journal of Physical Chemistry C, 119 38: 21921-21927. doi:10.1021/acs.jpcc.5b07572


Author Hankel, Marlies
Ye, Delai
Wang, Lianzhou
Searles, Debra J.
Title Lithium and sodium storage on graphitic carbon nitride
Journal name Journal of Physical Chemistry C   Check publisher's open access policy
ISSN 1932-7455
1932-7447
Publication date 2015-09-10
Year available 2015
Sub-type Article (original research)
DOI 10.1021/acs.jpcc.5b07572
Open Access Status Not Open Access
Volume 119
Issue 38
Start page 21921
End page 21927
Total pages 7
Place of publication Washington, United States
Publisher American Chemical Society
Language eng
Subject 2504 Electronic, Optical and Magnetic Materials
2100 Energy
1606 Physical and Theoretical Chemistry
2508 Surfaces, Coatings and Films
Abstract We present results from density functional theory calculations of the lithium adsorption onto 2D graphitic carbon nitride membranes, C3N4 and C6N8 and bulk C3N4. We find that lithium adsorbs preferentially over the triangular pores with a high adsorption energy. We also find that lithium adsorption severely distorts the membrane and bulk material. The lithium mainly interacts with the pyridinic nitrogen in the material, which enables a large lithium uptake. However, the pyridinic nitrogen is also responsible for the instability of the material. We also present experimental results on the charge and discharge capacities of C6N8. These mirror the theoretical prediction that the material shows a high lithium uptake which is, however, irreversible.
Formatted abstract
We present results from density functional theory calculations of the lithium adsorption onto 2D graphitic carbon nitride membranes, C3N4 and C6N8 and bulk C3N4. We find that lithium adsorbs preferentially over the triangular pores with a high adsorption energy. We also find that lithium adsorption severely distorts the membrane and bulk material. The lithium mainly interacts with the pyridinic nitrogen in the material, which enables a large lithium uptake. However, the pyridinic nitrogen is also responsible for the instability of the material. We also present experimental results on the charge and discharge capacities of C6N8. These mirror the theoretical prediction that the material shows a high lithium uptake which is, however, irreversible.
Keyword Chemistry, Physical
Nanoscience & Nanotechnology
Materials Science, Multidisciplinary
Chemistry
Science & Technology - Other Topics
Materials Science
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

 
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